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16097-23-7 | 2(1H)-Pyridinethione, 6-(2-hydroxy-2,2-diphenylethyl)-
CAS No: 16097-23-7 Catalog No: AG001VJT MDL No:
Product Description
Catalog Number:
AG001VJT
Chemical Name:
2(1H)-Pyridinethione, 6-(2-hydroxy-2,2-diphenylethyl)-
CAS Number:
16097-23-7
Molecular Formula:
C19H17NOS
Molecular Weight:
307.4094
IUPAC Name:
6-(2-hydroxy-2,2-diphenylethyl)-1H-pyridine-2-thione
InChI:
InChI=1S/C19H17NOS/c21-19(15-8-3-1-4-9-15,16-10-5-2-6-11-16)14-17-12-7-13-18(22)20-17/h1-13,21H,14H2,(H,20,22)
InChI Key:
YKOCSTLKBYOOTN-UHFFFAOYSA-N
SMILES:
S=c1cccc([nH]1)CC(c1ccccc1)(c1ccccc1)O
NSC Number:
108064
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.103g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
307.411g/mol
Monoisotopic Mass:
307.103g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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